SCHEMBL12005378

SCHEMBL12005378

Cc1cccnc1-c1c(C)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CCR1 P32246 2/20 0.46
CCR8 P51685 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2A6 P11509 4/20 0.46
CYP1A2 P05177 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.44
METAP2 P50579 1/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
CCR5 P51681 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
F12 P00748 1/20 0.39
PLAU P00749 1/20 0.39
NCF1 P14598 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12006024 0.85 CYP3A4 (0.42) LMNACCR1CCR8CYP3A4CYP2A6
SCHEMBL15780759 0.84 CYP2A6 (0.53) LMNACCR1CCR8CYP3A4CYP2A6
SCHEMBL12005138 0.83 CYP2A6 (0.44) CCR1CCR8CYP3A4CYP2A6CYP1A2
SCHEMBL17589450 0.81 CYP2A6 (0.50) LMNACCR1CCR8CYP2A6CYP1A2
SCHEMBL10052072 0.79 KDM4E (0.49) LMNACCR1CCR8CYP3A4CYP2A6
SCHEMBL29986334 0.79 KDM4E (0.49) LMNACCR1CCR8CYP3A4CYP2A6
SCHEMBL30021572 0.79 KDM4E (0.49) LMNACCR1CCR8CYP3A4CYP2A6
SCHEMBL21033797 0.77 ALDH1A1 (0.50) CCR1CCR8CYP3A4CYP2A6ALDH1A1
SCHEMBL12320089 0.77 NOS3 (0.54) LMNACYP2A6METAP2NOS3NOS1
SCHEMBL2951616 0.77 TSHR (0.65) CYP3A4CYP2A6CYP1A2TSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822696-B2 Ligand for asymmetric synthesis catalyst, and process for production of alpha-alkenyl cyclic compound using the same NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-09-02 US disclosed
US-20120220780-A1 LIGAND FOR ASYMMETRIC SYNTHESIS CATALYST, AND PROCESS FOR PRODUCTION OF ALPHA-ALKENYL CYCLIC COMPOUND USING SAME NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-08-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120220780-A1 LIGAND FOR ASYMMETRIC SYNTHESIS CATALYST, AND PROCESS FOR PRODUCTION OF ALPHA-ALKENYL CYCLIC COMPOUND USING SAME OR10J3, COASY, ACKR3 LMNA 4389/4885CCR1 65/4885CCR8 239/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.